3-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C9H10N2O5S MolecularWeight: 258.2511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O5S/c1-5(4-8(12)13)10-9(14)6-2-3-7(17-6)11(15)16/h2-3,5H,4H2,1H3,(H,10,14)(H,12,13)